1NQK

Structural Genomics, Crystal structure of Alkanesulfonate monooxygenase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-24
Detector	SBC-2
Wavelength(s)	0.9793,0.9791,0.9639
Spacegroup name	I 41 2 2
Unit cell lengths	84.251, 84.251, 234.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.130 - 2.200
R-factor	0.201
Rwork	0.201
R-free	0.26600
Structure solution method	MAD
Starting model (for MR)	none
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.180	2.180
Rmerge	0.072	0.560
Number of reflections	22467
<I/σ(I)>	33.87	2.08
Completeness [%]	99.0	92.3
Redundancy	12.89	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.2M NH4 Acetate, 0.1 M Ma Acetate. 22.5% PEG4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K