3S7Y

Crystal structure of mmNAGS in Space Group P3121 at 4.3 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	2009-04-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 31 2 1
Unit cell lengths	95.108, 95.108, 253.011
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.131 - 4.308
R-factor	0.2885
Rwork	0.274
R-free	0.41880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s6g
RMSD bond length	0.015
RMSD bond angle	2.456
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.450
High resolution limit [Å]	4.300	9.250	4.300
Rmerge	0.055	0.022	0.915
Number of reflections	9506
<I/σ(I)>	13.5
Completeness [%]	99.6	97.8	99.5
Redundancy	6.1	8	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	298	23% PEG400, 100 mM Bis-tris, 1 mM 5-amino-2,4,6-triiodoisophthalic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K