2Q83

Crystal structure of ytaA (2635576) from Bacillus subtilis at 2.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97904, 0.97932
Spacegroup name	P 64 2 2
Unit cell lengths	172.999, 172.999, 192.574
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.961 - 2.500
R-factor	0.199
Rwork	0.198
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.655
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.961	29.960	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.126	0.051	0.864
Total number of observations		6665	47319
Number of reflections	59155
<I/σ(I)>	4.6	10.5	0.9
Completeness [%]	99.9	94.8	100
Redundancy	10.8	8.9	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.57	277	NANODROP, 2.23M Ammonium sulfate, 0.1M Citric acid pH 5.57, VAPOR DIFFUSION, SITTING DROP, temperature 277K