2QJU

Crystal Structure of an NSS Homolog with Bound Antidepressant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Collection date	2007-06-08
Spacegroup name	C 1 2 1
Unit cell lengths	88.414, 86.763, 81.187
Unit cell angles	90.00, 95.72, 90.00

Refinement procedure

Resolution	38.220 - 2.900
R-factor	0.199
Rwork	0.199
R-free	0.22000
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2a65
RMSD bond length	0.009
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.900
Number of reflections	12935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	PEG550 MME, NaCl, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K