1VMF

CRYSTAL STRUCTURE OF a YBJQ-LIKE FOLD PROTEIN OF UNKNOWN FUNCTION (BH3498) FROM BACILLUS HALODURANS AT 1.46 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-11
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	57.601, 58.951, 134.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.480 - 1.460
R-factor	0.14964
Rwork	0.148
R-free	0.17483
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.368
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	REFMAC ((5.2.0005))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.480	1.540
High resolution limit [Å]	1.460	1.460
Rmerge	0.059	0.742
Number of reflections	78750
<I/σ(I)>	16.5	2.4
Completeness [%]	97.9	92
Redundancy	5.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	8.0% Ethylene Glycol, 10.0% PEG 8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	8.0% Ethylene Glycol, 10.0% PEG 8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	8.0% Ethylene Glycol, 10.0% PEG 8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K